CID 504602

(2r)-2-(1-acetylindol-3-yl)-6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one

Structural Information

Molecular Formula
C21H16N2O3
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)[C@H]3CC34C(=O)OC(=N4)C5=CC=CC=C5
InChI
InChI=1S/C21H16N2O3/c1-13(24)23-12-16(15-9-5-6-10-18(15)23)17-11-21(17)20(25)26-19(22-21)14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3/t17-,21?/m1/s1
InChIKey
COXOBFSHHBLWJW-OQHSHRKDSA-N
Compound name
(2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12338 182.1
[M+Na]+ 367.10532 195.0
[M-H]- 343.10882 194.6
[M+NH4]+ 362.14992 193.5
[M+K]+ 383.07926 190.1
[M+H-H2O]+ 327.11336 174.7
[M+HCOO]- 389.11430 202.7
[M+CH3COO]- 403.12995 194.1
[M+Na-2H]- 365.09077 183.6
[M]+ 344.11555 188.5
[M]- 344.11665 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.